(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C29H30N4O2 — CID 11951459

IUPAC(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccn2c(CN3CCC(Cc4ccccc4)CC3)c(-c3ccccc3)nc2c1)NO
InChIInChI=1S/C29H30N4O2/c34-28(31-35)12-11-23-15-18-33-26(29(30-27(33)20-23)25-9-5-2-6-10-25)21-32-16-13-24(14-17-32)19-22-7-3-1-4-8-22/h1-12,15,18,20,24,35H,13-14,16-17,19,21H2,(H,31,34)/b12-11+
InChIKeyIQAREKMHZINKKU-VAWYXSNFSA-N
MW466.59 g/mol
LogP4.97
Rot. Bonds7

About (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 11951459) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID11951459
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccn2c(CN3CCC(Cc4ccccc4)CC3)c(-c3ccccc3)nc2c1)NO
InChIInChI=1S/C29H30N4O2/c34-28(31-35)12-11-23-15-18-33-26(29(30-27(33)20-23)25-9-5-2-6-10-25)21-32-16-13-24(14-17-32)19-22-7-3-1-4-8-22/h1-12,15,18,20,24,35H,13-14,16-17,19,21H2,(H,31,34)/b12-11+
InChIKeyIQAREKMHZINKKU-VAWYXSNFSA-N
XLogP4.97
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151542
(E)-3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951456
(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 11951106
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
CID 73151485
3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108512
(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 143296646
(E)-3-[6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 86603772
(E)-3-[1-(4-benzylcyclohexyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 58816189
(E)-3-[1-(1-benzylpiperidin-4-yl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 11751988
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
(E)-N-hydroxy-3-[4-[[(2R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 51001465
3-[3-[(tert-butylamino)methyl]-2-phenylimidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
CID 74373213

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 11951459) is (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccn2c(CN3CCC(Cc4ccccc4)CC3)c(-c3ccccc3)nc2c1)NO.
What is the InChIKey of (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is IQAREKMHZINKKU-VAWYXSNFSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-28(31-35)12-11-23-15-18-33-26(29(30-27(33)20-23)25-9-5-2-6-10-25)21-32-16-13-24(14-17-32)19-22-7-3-1-4-8-22/h1-12,15,18,20,24,35H,13-14,16-17,19,21H2,(H,31,34)/b12-11+.
What are the key properties of (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 466.59 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11951459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).